(4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C13H17N5O2S — CID 56816447

IUPAC(4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C13H17N5O2S/c1-3-10-11(21-17-15-10)13(19)18-6-4-9(5-7-18)12-14-8(2)16-20-12/h9H,3-7H2,1-2H3
InChIKeyXMQPFYQXQJDPQX-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.81
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56816447) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID56816447
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name(4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C13H17N5O2S/c1-3-10-11(21-17-15-10)13(19)18-6-4-9(5-7-18)12-14-8(2)16-20-12/h9H,3-7H2,1-2H3
InChIKeyXMQPFYQXQJDPQX-UHFFFAOYSA-N
XLogP1.81
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylthiadiazol-5-yl)-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984862
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 90564253
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 136553357
(5-chlorothiophen-2-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136577922
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 47444332
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 129416745
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 56816447) is (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCC(c2nc(C)no2)CC1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is XMQPFYQXQJDPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-10-11(21-17-15-10)13(19)18-6-4-9(5-7-18)12-14-8(2)16-20-12/h9H,3-7H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 307.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56816447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).